1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea

C18H29N5O2 — CID 97073055

IUPAC1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
SMILESCc1cccnc1NC(=O)NC[C@@H]1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C18H29N5O2/c1-15-3-2-5-19-17(15)21-18(24)20-13-16-4-6-23(14-16)8-7-22-9-11-25-12-10-22/h2-3,5,16H,4,6-14H2,1H3,(H2,19,20,21,24)/t16-/m0/s1
InChIKeyQOHMMTXMBUSUQS-INIZCTEOSA-N
MW347.46 g/mol
LogP1.17
Rot. Bonds6

About 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea

1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 97073055) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
PubChem CID97073055
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
SMILESCc1cccnc1NC(=O)NC[C@@H]1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C18H29N5O2/c1-15-3-2-5-19-17(15)21-18(24)20-13-16-4-6-23(14-16)8-7-22-9-11-25-12-10-22/h2-3,5,16H,4,6-14H2,1H3,(H2,19,20,21,24)/t16-/m0/s1
InChIKeyQOHMMTXMBUSUQS-INIZCTEOSA-N
XLogP1.17
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3R)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 95128912
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498
2-(2-fluorophenyl)-N-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 94777767
1-(3-methyl-4-pyridinyl)-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 124569007
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
CID 97444304
1-(5-methyl-1,3-thiazol-2-yl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 136522981
3-(4-chloro-3-fluorophenyl)-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]-2-oxopropanamide
CID 160567765
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea (CID 97073055) is 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea is Cc1cccnc1NC(=O)NC[C@@H]1CCN(CCN2CCOCC2)C1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is QOHMMTXMBUSUQS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-15-3-2-5-19-17(15)21-18(24)20-13-16-4-6-23(14-16)8-7-22-9-11-25-12-10-22/h2-3,5,16H,4,6-14H2,1H3,(H2,19,20,21,24)/t16-/m0/s1.
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea?
1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 347.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 97073055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).